SCHEMBL31470199

SCHEMBL31470199

[C-]#[N+]c1ccc(C(=O)OCC(=O)NC2CCCc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 3/20 0.60
HTT P42858 1/20 0.59
GAA P10253 2/20 0.54
RECQL P46063 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.53
DHODH Q02127 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12366128 0.78 ALDH1A1 (0.69) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL31470160 0.77 KMT2A (0.71) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL31470176 0.76 KMT2A (0.70) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL31470190 0.76 KMT2A (0.70) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL13683335 0.76 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL2213195 0.74 ALDH1A1 (0.74) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL22756633 0.73 ALDH1A1 (0.72) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL31470151 0.72 KDM4E (0.56) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL14335367 0.72 ALDH1A1 (0.80) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL10806154 0.72 ALDH1A1 (0.71) POLBKMT2AMEN1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO claimed
WO-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO disclosed